3-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-5-hexyl-oxolan-2-one

Systemtic Name: 3-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-5-hexyl-oxolan-2-one Openeye Name: 3-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-5-hexyl-tetrahydrofuran-2-one CAS Name: 3-[[4-(5-decyl-2-pyrimidinyl)phenyl]methyl]-5-hexyl-2-oxolanone IUPAC Name: 3-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-5-hexyloxolan-2-one Traditional Name: 3-[4-(5-decylpyrimidin-2-yl)benzyl]-5-hexyl-tetrahydrofuran-2-one Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC3CC(OC3=O)CCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC3CC(OC3=O)CCCCCC

InChI

InChI=1S/C31H46N2O2/c1-3-5-7-9-10-11-12-13-15-26-23-32-30(33-24-26)27-19-17-25(18-20-27)21-28-22-29(35-31(28)34)16-14-8-6-4-2/h17-20,23-24,28-29H,3-16,21-22H2,1-2H3